Geometry & MOs

Info

ID:	234308
PubChem CID:	92298144
Reduced:	NO8C16H19 (1)
Stoich.:	AB8C16D19 (1)
Weight, g/mol:	247.084458
ΔH_f, kcal/mol:	-253.34
Dipole, Da:	6.37
IP(EA), eV:	-8.9(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-cyano-3-(3,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)C2=NO[C@@H]([C@@H]2C(=O)OC)C(=O)OC)OC

DOS

IR

Vibrations